3-[(3-methoxyphenyl)methoxy]benzaldehyde

• ChemBase ID: 26033
• Molecular Formular: C15H14O3
• Molecular Mass: 242.26986
• Monoisotopic Mass: 242.09429431
• SMILES: O=Cc1cc(OCc2cc(OC)ccc2)ccc1
• Canonical SMILES: COc1cccc(c1)COc1cccc(c1)C=O
• InChI: InChI=1S/C15H14O3/c1-17-14-6-3-5-13(9-14)11-18-15-7-2-4-12(8-15)10-16/h2-10H,11H2,1H3
• InChIKey: FDQLPUHWWLYVQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-methoxyphenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 3-[(3-methoxyphenyl)methoxy]benzaldehyde
• Synonyms: 3-[(3-methoxyphenyl)methoxy]benzaldehyde; 3-[(3-Methoxybenzyl)oxy]benzaldehyde

Database IDs

• CAS Number: 588685-98-7
• MDL Number: MFCD03422457
• PubChem SID: 160989340
• PubChem CID: 3858058

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.0948787
• LogD (pH = 7.4): 3.0948787
• Log P: 3.0948787
• Molar Refractivity: 70.181 cm^3
• Polarizability: 26.845482 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.466

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%